Compound Detail
CHEMBL2296698
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N/C(=N/O)c1cccc(CN2C(=O)N(Cc3cccc(/C(N)=N\O)c3)C(Cc3ccc(F)c(F)c3)C(O)C2CCc2ccc(F)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL2296698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOOIRGLUJVFIDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
678.7
MW (Da)
4.84
ALogP
6
HBA
5
HBD
161.0
PSA (Ų)
0.05
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | Ki | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | Ki | = | 0.01 | nM | 11.0 | Inhibition of Human immunodeficiency virus 1 protease | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0275-8 | Protease | 1 |
Data from ChEMBL 36 via Core Engine